Structure of PDB 7b6a Chain BBB Binding Site BS01

Receptor Information
>7b6a Chain BBB (length=261) Species: 1891762 (Betapolyomavirus hominis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGVEVLEVKTGVDAITEVECFLNPEMGDPDENLRGFSLKLSAENDFSSDS
PERKMLPCYSTARIPLPNLNLLMWEAVTVQTEVIGITSMLNLHAGSQKVH
EHGGGKPIQGSNFHFFAVGGEPLEMQGVLMNYRSKYPDGTITPKNPTAQS
QVMNTDHKAYLDKNNAYPVECWVPDPSRNENARYFGTFTGGENVPPVLHV
TNTATTVLLDEQGVGPLCKADSLYVSAADICGLFTNSSGTQQWRGLARYF
KIRLRKRSVKN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7b6a Chain BBB Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b6a Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors.
Resolution1.44 Å
Binding residue
(original residue number in PDB)		G156 E157 K255 S258
Binding residue
(residue number reindexed from 1)		G120 E121 K219 S222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity
Cellular Component
GO:0019028 viral capsid

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Molecular Function
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Cellular Component
External links
PDB RCSB:7b6a, PDBe:7b6a, PDBj:7b6a
PDBsum7b6a
PubMed35974998
UniProtP03088|VP1_POVBK Major capsid protein VP1

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